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Compare Angles

18 10 26 16 25

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Species Name Experimental Angle Calculated Angle Difference
CH2F2 Methane, difluoro- 108.5 108.9 -0.4
CH3CHF2 Ethane, 1,1-difluoro- 107.4 107.5 -0.1
CH2CF2 Ethene, 1,1-difluoro- 110.6 109.4 1.2
CHF2Cl difluorochloromethane 107.0 109.7 -2.7
CHF3 Methane, trifluoro- 108.6 108.3 0.3
CF3Br Bromotrifluoromethane 108.8 108.7 0.1
CF2Cl2 difluorodichloromethane 106.2 109.9 -3.7
CF3Cl Methane, chlorotrifluoro- 108.6 109.5 -0.9
CF4 Carbon tetrafluoride 109.5 109.5 -0.0
CF3COOH trifluoroacetic acid 109.4 108.9 0.5
C3F8 perfluoropropane 107.0 109.8 -2.8
C3F8 perfluoropropane 109.3 109.1 0.2
CF2CCl2 difluorodichloroethylene 112.1 111.2 0.9
C2F4 Tetrafluoroethylene 112.4 113.1 -0.7
CF2O Carbonic difluoride 108.0 108.4 -0.4
CBrClF2 Methane, bromochlorodifluoro- 106.8 109.1 -2.3
CF3CN Acetonitrile, trifluoro- 109.2 108.3 0.9
C2HF3 Trifluoroethylene 112.0 111.6 0.4
CHF2CHF2 1,1,2,2-tetrafluoroethane 107.4 108.6 -1.2
CF3OF Trifluoromethylhypofluorite 109.4 110.1 -0.7
CH3CF3 Ethane, 1,1,1-trifluoro- 106.9 107.2 -0.3
F2CCCF2 tetrafluoroallene 108.5 108.4 0.1
CF2 Difluoromethylene 104.9 104.1 0.8
CF3 Trifluoromethyl radical 110.8 111.6 -0.8

HF/3-21G for aFCF

Histogram of angle differences (in degrees) vs number of species


Differences greater than 2 are in the 2 bin. Differences less than -4 are in the -4 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-4 -3.5 -3 -2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CF2Cl2 difluorodichloromethane -3.7
Most positive difference CH2CF2 Ethene, 1,1-difluoro- 1.2